2-(cyclohexylamino)-N-[3-(dimethylamino)propyl]-6-methylpyrimidine-4-carboxamide

C17H29N5O — CID 109322624

IUPAC2-(cyclohexylamino)-N-[3-(dimethylamino)propyl]-6-methylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCCCN(C)C)nc(NC2CCCCC2)n1
InChIInChI=1S/C17H29N5O/c1-13-12-15(16(23)18-10-7-11-22(2)3)21-17(19-13)20-14-8-5-4-6-9-14/h12,14H,4-11H2,1-3H3,(H,18,23)(H,19,20,21)
InChIKeyODTIPYIJMXQLFI-UHFFFAOYSA-N
MW319.45 g/mol
LogP2.21
Rot. Bonds7

About 2-(cyclohexylamino)-N-[3-(dimethylamino)propyl]-6-methylpyrimidine-4-carboxamide

2-(cyclohexylamino)-N-[3-(dimethylamino)propyl]-6-methylpyrimidine-4-carboxamide (PubChem CID 109322624) has the molecular formula C17H29N5O and a molecular weight of 319.45 g/mol. Its IUPAC name is 2-(cyclohexylamino)-N-[3-(dimethylamino)propyl]-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(cyclohexylamino)-N-[3-(dimethylamino)propyl]-6-methylpyrimidine-4-carboxamide
PubChem CID109322624
Molecular FormulaC17H29N5O
Molecular Weight319.45 g/mol
Exact Mass319.24
IUPAC Name2-(cyclohexylamino)-N-[3-(dimethylamino)propyl]-6-methylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCCCN(C)C)nc(NC2CCCCC2)n1
InChIInChI=1S/C17H29N5O/c1-13-12-15(16(23)18-10-7-11-22(2)3)21-17(19-13)20-14-8-5-4-6-9-14/h12,14H,4-11H2,1-3H3,(H,18,23)(H,19,20,21)
InChIKeyODTIPYIJMXQLFI-UHFFFAOYSA-N
XLogP2.21
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-2-(cyclopentylamino)-6-methylpyrimidine-4-carboxamide
CID 109320611
2-(cyclohexylamino)-6-methyl-N-propylpyrimidine-4-carboxamide
CID 109319065
2-(cycloheptylamino)-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109332847
N-[3-(dimethylamino)propyl]-2-[3-(dimethylamino)propylamino]-6-methylpyrimidine-4-carboxamide
CID 109325406
N-cyclopentyl-2-(cyclopropylamino)-6-methylpyrimidine-4-carboxamide
CID 109319648
2-(cyclopentylamino)-6-methyl-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109320990
2-(cycloheptylamino)-N-[3-(dimethylamino)propyl]pyrimidine-5-carboxamide
CID 109253363
2-(cycloheptylamino)-6-methyl-N,N-dipropylpyrimidine-4-carboxamide
CID 109332852
2-(cycloheptylamino)-N-[2-(cyclohexen-1-yl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109323416
N-[3-(dimethylamino)propyl]-6-methyl-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide
CID 109325631
2-(cyclopentylamino)-6-methyl-N,N-dipropylpyrimidine-4-carboxamide
CID 109321987
N-tert-butyl-2-(cycloheptylamino)-6-methylpyrimidine-4-carboxamide
CID 109332725

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylamino)-N-[3-(dimethylamino)propyl]-6-methylpyrimidine-4-carboxamide?
The IUPAC name of 2-(cyclohexylamino)-N-[3-(dimethylamino)propyl]-6-methylpyrimidine-4-carboxamide (CID 109322624) is 2-(cyclohexylamino)-N-[3-(dimethylamino)propyl]-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(cyclohexylamino)-N-[3-(dimethylamino)propyl]-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(cyclohexylamino)-N-[3-(dimethylamino)propyl]-6-methylpyrimidine-4-carboxamide is Cc1cc(C(=O)NCCCN(C)C)nc(NC2CCCCC2)n1.
What is the InChIKey of 2-(cyclohexylamino)-N-[3-(dimethylamino)propyl]-6-methylpyrimidine-4-carboxamide?
The InChIKey is ODTIPYIJMXQLFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O/c1-13-12-15(16(23)18-10-7-11-22(2)3)21-17(19-13)20-14-8-5-4-6-9-14/h12,14H,4-11H2,1-3H3,(H,18,23)(H,19,20,21).
What are the key properties of 2-(cyclohexylamino)-N-[3-(dimethylamino)propyl]-6-methylpyrimidine-4-carboxamide?
2-(cyclohexylamino)-N-[3-(dimethylamino)propyl]-6-methylpyrimidine-4-carboxamide has a molecular weight of 319.45 g/mol, XLogP of 2.21, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)-N-[3-(dimethylamino)propyl]-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109322624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).